N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide

C12H16F4N2O2S — CID 91764464

IUPACN-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESCCc1nc(C)c(CNC(=O)COCC(F)(F)C(F)F)s1
InChIInChI=1S/C12H16F4N2O2S/c1-3-10-18-7(2)8(21-10)4-17-9(19)5-20-6-12(15,16)11(13)14/h11H,3-6H2,1-2H3,(H,17,19)
InChIKeyDNRZRSSUJKEOJI-UHFFFAOYSA-N
MW328.33 g/mol
LogP2.55
Rot. Bonds8

About N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide

N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide (PubChem CID 91764464) has the molecular formula C12H16F4N2O2S and a molecular weight of 328.33 g/mol. Its IUPAC name is N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide.

Molecular Properties

Compound NameN-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
PubChem CID91764464
Molecular FormulaC12H16F4N2O2S
Molecular Weight328.33 g/mol
Exact Mass328.09
IUPAC NameN-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESCCc1nc(C)c(CNC(=O)COCC(F)(F)C(F)F)s1
InChIInChI=1S/C12H16F4N2O2S/c1-3-10-18-7(2)8(21-10)4-17-9(19)5-20-6-12(15,16)11(13)14/h11H,3-6H2,1-2H3,(H,17,19)
InChIKeyDNRZRSSUJKEOJI-UHFFFAOYSA-N
XLogP2.55
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The IUPAC name of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide (CID 91764464) is N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide.
What is the SMILES notation for N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The canonical SMILES for N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide is CCc1nc(C)c(CNC(=O)COCC(F)(F)C(F)F)s1.
What is the InChIKey of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The InChIKey is DNRZRSSUJKEOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F4N2O2S/c1-3-10-18-7(2)8(21-10)4-17-9(19)5-20-6-12(15,16)11(13)14/h11H,3-6H2,1-2H3,(H,17,19).
What are the key properties of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide has a molecular weight of 328.33 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide is sourced from PubChem (CID 91764464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).